| SpectraBase Compound ID | 1THTU71UFeU |
|---|---|
| InChI | InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18?,19?,20?,21+,22+,23?,24?,25-,26-,27+/m0/s1 |
| InChIKey | FWCXELAAYFYCSR-GRSIEMDKSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C27H44O4 |
| Exact Mass | 432.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LsxpEFld7R0 |
|---|---|
| Name | GITOGENIN;(25R)-5-ALPHA-SPIROSTANE-2-ALPHA,3-BETA-DIOL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O4 |
| InChI | InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18?,19?,20?,21+,22+,23?,24?,25-,26-,27+/m0/s1 |
| InChIKey | FWCXELAAYFYCSR-GRSIEMDKSA-N |
| Literature Reference Author | Y.MIMAKI,M.KURODA,A.KAMEYAMA,A.YOKOSUKA,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,48,1361(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00157-5 |
| Molecular Weight | 432.644 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1485 |